1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine

C21H22F6N2O — CID 22353151

IUPAC1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine
SMILESFC(F)(F)c1cc(COCC(c2ccccc2)N2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H22F6N2O/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-30-14-19(16-4-2-1-3-5-16)29-8-6-28-7-9-29/h1-5,10-12,19,28H,6-9,13-14H2
InChIKeyBUBWRIVYXMCTAG-UHFFFAOYSA-N
MW432.41 g/mol
LogP4.89
Rot. Bonds6

About 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine

1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine (PubChem CID 22353151) has the molecular formula C21H22F6N2O and a molecular weight of 432.41 g/mol. Its IUPAC name is 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine.

Molecular Properties

Compound Name1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine
PubChem CID22353151
Molecular FormulaC21H22F6N2O
Molecular Weight432.41 g/mol
Exact Mass432.16
IUPAC Name1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine
SMILESFC(F)(F)c1cc(COCC(c2ccccc2)N2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H22F6N2O/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-30-14-19(16-4-2-1-3-5-16)29-8-6-28-7-9-29/h1-5,10-12,19,28H,6-9,13-14H2
InChIKeyBUBWRIVYXMCTAG-UHFFFAOYSA-N
XLogP4.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine?
The IUPAC name of 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine (CID 22353151) is 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine.
What is the SMILES notation for 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine?
The canonical SMILES for 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine is FC(F)(F)c1cc(COCC(c2ccccc2)N2CCNCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine?
The InChIKey is BUBWRIVYXMCTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F6N2O/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-30-14-19(16-4-2-1-3-5-16)29-8-6-28-7-9-29/h1-5,10-12,19,28H,6-9,13-14H2.
What are the key properties of 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine?
1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine has a molecular weight of 432.41 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine is sourced from PubChem (CID 22353151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).